8R8O

Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1

8R8O の概要

• エントリーDOI: 10.2210/pdb8r8o/pdb
• 分子名称: HalluTIM3-1, GLYCEROL, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: hallucination, tim barrel, de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32874.93

構造登録者

Beck, J.,Shanmugaratnam, S.,Hocker, B. (登録日: 2023-11-29, 公開日: 2024-05-22)

主引用文献

Beck, J.,Shanmugaratnam, S.,Hocker, B.
Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33:e5001-e5001, 2024

PubMed Abstract: De novo protein design expands the protein universe by creating new sequences to accomplish tailor-made enzymes in the future. A promising topology to implement diverse enzyme functions is the ubiquitous TIM-barrel fold. Since the initial de novo design of an idealized four-fold symmetric TIM barrel, the family of de novo TIM barrels is expanding rapidly. Despite this and in contrast to natural TIM barrels, these novel proteins lack cavities and structural elements essential for the incorporation of binding sites or enzymatic functions. In this work, we diversified a de novo TIM barrel by extending multiple βα-loops using constrained hallucination. Experimentally tested designs were found to be soluble upon expression in Escherichia coli and well-behaved. Biochemical characterization and crystal structures revealed successful extensions with defined α-helical structures. These diversified de novo TIM barrels provide a framework to explore a broad spectrum of functions based on the potential of natural TIM barrels.

PubMed: 38723111
DOI: 10.1002/pro.5001

実験手法

X-RAY DIFFRACTION (2.15 Å)